## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
91 |
24 |
25604 |
◊ |
A |
x,y,z |
1_555 |
90 |
24 |
25674 |
809.1 |
-10.7 |
0.045 |
4 |
2 |
0 |
0.375 |
2 |
|
D |
91 |
25 |
25719 |
◊ |
C |
x,y,z |
1_555 |
91 |
25 |
25749 |
797.6 |
-11.9 |
0.032 |
3 |
3 |
0 |
0.375 |
Average: |
803.4 |
-11.3 |
0.038 |
4 |
3 |
0 |
0.375 |
2 |
3 |
|
A |
56 |
17 |
25674 |
◊ |
D |
x,y,z-1 |
1_554 |
58 |
17 |
25719 |
516.5 |
-2.2 |
0.406 |
1 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
55 |
17 |
25749 |
◊ |
A |
x,y,z |
1_555 |
70 |
22 |
25674 |
515.6 |
-5.1 |
0.214 |
1 |
0 |
0 |
0.123 |
5 |
|
D |
52 |
18 |
25719 |
◊ |
B |
x,y,z |
1_555 |
54 |
19 |
25604 |
466.9 |
-6.3 |
0.126 |
0 |
0 |
0 |
0.123 |
Average: |
491.3 |
-5.7 |
0.170 |
1 |
0 |
0 |
0.123 |
4 |
6 |
|
[KQD]C:801 |
44 |
1 |
1398 |
◊ |
C |
x,y,z |
1_555 |
70 |
20 |
25749 |
476.3 |
-9.5 |
0.179 |
2 |
0 |
0 |
0.271 |
5 |
7 |
|
A |
52 |
20 |
25674 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
55 |
19 |
25719 |
475.4 |
-1.4 |
0.467 |
0 |
1 |
0 |
0.000 |
6 |
8 |
|
[KQD]C:801 |
44 |
1 |
1398 |
f |
D |
x,y,z |
1_555 |
70 |
21 |
25719 |
475.2 |
-9.7 |
0.178 |
2 |
0 |
0 |
0.278 |
7 |
9 |
|
[KQD]B:801 |
45 |
1 |
1396 |
f |
B |
x,y,z |
1_555 |
71 |
21 |
25604 |
474.4 |
-9.5 |
0.180 |
2 |
0 |
0 |
0.304 |
8 |
10 |
|
[KQD]B:801 |
44 |
1 |
1396 |
◊ |
A |
x,y,z |
1_555 |
66 |
20 |
25674 |
470.4 |
-9.1 |
0.160 |
2 |
0 |
0 |
0.294 |
9 |
11 |
|
C |
38 |
14 |
25749 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
25604 |
436.0 |
-6.5 |
0.074 |
0 |
0 |
0 |
0.124 |
12 |
|
D |
34 |
14 |
25719 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
25674 |
406.2 |
-5.4 |
0.104 |
0 |
0 |
0 |
0.124 |
Average: |
421.1 |
-6.0 |
0.089 |
0 |
0 |
0 |
0.124 |
10 |
13 |
|
[KQD]A:601 |
39 |
1 |
1291 |
◊ |
A |
x,y,z |
1_555 |
45 |
22 |
25674 |
411.8 |
-7.6 |
0.161 |
4 |
0 |
0 |
0.273 |
14 |
|
[KQD]D:601 |
37 |
1 |
1286 |
◊ |
D |
x,y,z |
1_555 |
43 |
22 |
25719 |
391.7 |
-7.2 |
0.191 |
4 |
0 |
0 |
0.273 |
Average: |
401.8 |
-7.4 |
0.176 |
4 |
0 |
0 |
0.273 |
11 |
15 |
|
[KQD]D:601 |
41 |
1 |
1286 |
f |
C |
x,y,z |
1_555 |
45 |
23 |
25749 |
409.4 |
-9.6 |
0.131 |
4 |
0 |
0 |
0.608 |
16 |
|
[KQD]A:601 |
37 |
1 |
1291 |
f |
B |
x,y,z |
1_555 |
44 |
23 |
25604 |
390.4 |
-9.6 |
0.134 |
4 |
0 |
0 |
0.608 |
Average: |
399.9 |
-9.6 |
0.132 |
4 |
0 |
0 |
0.608 |
12 |
17 |
|
[KQD]B:801 |
50 |
1 |
1396 |
f |
[KQD]A:601 |
x,y,z |
1_555 |
45 |
1 |
1291 |
359.5 |
-4.2 |
0.964 |
1 |
0 |
0 |
0.135 |
13 |
18 |
|
[KQD]C:801 |
50 |
1 |
1398 |
◊ |
[KQD]D:601 |
x,y,z |
1_555 |
45 |
1 |
1286 |
357.2 |
-4.0 |
0.969 |
1 |
0 |
0 |
0.115 |
14 |
19 |
|
C |
32 |
9 |
25749 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
8 |
25674 |
350.8 |
-3.6 |
0.186 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
32 |
8 |
25604 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
10 |
25719 |
322.5 |
-4.6 |
0.124 |
0 |
0 |
0 |
0.000 |
Average: |
336.7 |
-4.1 |
0.155 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
48 |
16 |
25604 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
44 |
15 |
25749 |
335.6 |
1.0 |
0.640 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
B |
27 |
9 |
25604 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
25 |
9 |
25749 |
259.8 |
-0.8 |
0.326 |
0 |
2 |
0 |
0.000 |
17 |
23 |
|
A |
31 |
8 |
25674 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
9 |
25604 |
235.1 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
21 |
7 |
25749 |
◊ |
D |
x,y,z-1 |
1_554 |
30 |
8 |
25719 |
225.4 |
-0.7 |
0.503 |
0 |
2 |
0 |
0.000 |
Average: |
230.2 |
-0.7 |
0.491 |
0 |
1 |
0 |
0.000 |
18 |
25 |
|
[NAG]D:604 |
11 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
28 |
12 |
25719 |
167.3 |
4.7 |
0.511 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
[NAG]A:606 |
12 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
24 |
11 |
25674 |
164.6 |
3.9 |
0.399 |
2 |
0 |
0 |
0.000 |
27 |
|
[NAG]C:803 |
11 |
1 |
356 |
cf |
C |
x,y,z |
1_555 |
24 |
11 |
25749 |
160.4 |
3.8 |
0.432 |
1 |
0 |
0 |
0.000 |
28 |
|
[NAG]B:804 |
12 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
23 |
11 |
25604 |
160.2 |
3.7 |
0.397 |
2 |
0 |
0 |
0.000 |
Average: |
161.7 |
3.8 |
0.409 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[NAG]D:602 |
11 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
13 |
6 |
25719 |
125.2 |
2.7 |
0.322 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[NAG]A:604 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
13 |
7 |
25674 |
117.8 |
2.6 |
0.311 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[NAG]A:605 |
10 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
25674 |
102.7 |
2.2 |
0.338 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[NAG]B:803 |
10 |
1 |
350 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
25604 |
102.2 |
2.3 |
0.358 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[NAG]C:802 |
9 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
16 |
6 |
25749 |
99.2 |
3.4 |
0.446 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[NAG]D:603 |
10 |
1 |
355 |
cf |
D |
x,y,z |
1_555 |
14 |
6 |
25719 |
94.1 |
1.9 |
0.284 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[NAG]A:603 |
8 |
1 |
362 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
7 |
1 |
357 |
79.8 |
2.0 |
0.121 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]D:605 |
8 |
1 |
361 |
cf |
[NAG]D:604 |
x,y,z |
1_555 |
7 |
1 |
362 |
70.7 |
1.8 |
0.109 |
0 |
0 |
0 |
0.000 |
Average: |
75.2 |
1.9 |
0.115 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[NAG]B:802 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
25604 |
77.0 |
2.7 |
0.303 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[NAG]A:602 |
8 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
25674 |
71.0 |
2.4 |
0.410 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[NAG]B:805 |
9 |
1 |
365 |
cf |
[NAG]B:804 |
x,y,z |
1_555 |
7 |
1 |
355 |
69.7 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]C:804 |
8 |
1 |
350 |
cf |
[NAG]C:803 |
x,y,z |
1_555 |
7 |
1 |
356 |
66.3 |
1.4 |
0.083 |
0 |
0 |
0 |
0.000 |
Average: |
68.0 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[NAG]A:607 |
8 |
1 |
359 |
cf |
[NAG]A:606 |
x,y,z |
1_555 |
7 |
1 |
356 |
65.6 |
1.3 |
0.082 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[NAG]D:605 |
2 |
1 |
361 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
25719 |
45.6 |
1.9 |
0.749 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[NAG]A:604 |
5 |
1 |
362 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
2 |
25604 |
38.5 |
0.6 |
0.360 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
C |
3 |
1 |
25749 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
1 |
25604 |
36.4 |
-0.7 |
0.302 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[NAG]A:607 |
6 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
25674 |
35.5 |
0.7 |
0.271 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[NAG]C:804 |
3 |
1 |
350 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
25749 |
34.5 |
1.4 |
0.573 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]B:805 |
1 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
25604 |
32.9 |
0.8 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
33.7 |
1.1 |
0.522 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
B |
3 |
3 |
25604 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
5 |
2 |
25719 |
33.8 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
C |
3 |
2 |
25749 |
◊ |
[NAG]D:602 |
x,y,z-1 |
1_554 |
3 |
1 |
365 |
15.5 |
0.2 |
0.314 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[NAG]A:603 |
2 |
1 |
362 |
◊ |
[NAG]B:802 |
x-1,y,z-1 |
1_454 |
1 |
1 |
363 |
9.2 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[NAG]B:802 |
1 |
1 |
363 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
25749 |
7.0 |
0.3 |
0.359 |
0 |
0 |
0 |
0.000 |
|